PYRIDOXAL 5'-DIPHOSPHO-5'-ADENOSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22N6O12P2
Molecular Weight	576.3478
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PYRIDOXAL 5'-DIPHOSPHO-5'-ADENOSINE

Structure Search

SMILES

CC1=C(O)C(C=O)=C(COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@@H]([C@H](O)[C@@H]2O)N3C=NC4=C3N=CN=C4N)C=N1

InChI

InChIKey=RUIFPEPERZGNCR-HETNKJQDSA-N

InChI=1S/C18H22N6O12P2/c1-8-13(26)10(3-25)9(2-20-8)4-33-37(29,30)36-38(31,32)34-5-11-14(27)15(28)18(35-11)24-7-23-12-16(19)21-6-22-17(12)24/h2-3,6-7,11,14-15,18,26-28H,4-5H2,1H3,(H,29,30)(H,31,32)(H2,19,21,22)/t11-,14-,15-,18?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H22N6O12P2
Molecular Weight	576.3478
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:06:45 GMT 2023` Edited by `admin` on `Fri Dec 15 18:06:45 GMT 2023`
Record UNII	IL00V5Z57E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYRIDOXAL 5'-DIPHOSPHO-5'-ADENOSINE

Common Name

English

PYRIDOXAL-ADENINE DINUCLEOTIDE

Common Name

English

AP2PL

Common Name

English

ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-((4-FORMYL-5-HYDROXY-6-METHYL-3-PYRIDINYL)METHYL) ESTER

Systematic Name

English

ADP-PYRIDOXAL

Common Name

English

Code System Code Type Description

CAS

4500-99-6

Created by admin on Fri Dec 15 18:06:45 GMT 2023 , Edited by admin on Fri Dec 15 18:06:45 GMT 2023

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FDA UNII

IL00V5Z57E

Created by admin on Fri Dec 15 18:06:45 GMT 2023 , Edited by admin on Fri Dec 15 18:06:45 GMT 2023

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EPA CompTox

DTXSID20963320

Created by admin on Fri Dec 15 18:06:45 GMT 2023 , Edited by admin on Fri Dec 15 18:06:45 GMT 2023

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PUBCHEM

121867

Created by admin on Fri Dec 15 18:06:45 GMT 2023 , Edited by admin on Fri Dec 15 18:06:45 GMT 2023

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